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Sugi Predict / Compounds / SCHEMBL30445400

SCHEMBL30445400

SCHEMBL30445400

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 2/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ FNTA P49354 11/20 0.49
▸ FNTB P49356 11/20 0.49
▸ PGGT1B P53609 9/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23362899 0.91 NPY4R (0.56) NPY4RNPY1RNPY2R
SCHEMBL23362903 0.91 NPY4R (0.56) NPY4RNPY1RNPY2R
SCHEMBL30445724 0.89 BACE1 (0.54) NPY4RNPY1RNPY2RFNTAFNTB
SCHEMBL29352830 0.89 NPY4R (0.55) NPY4RNPY1RNPY2RFNTAFNTB
SCHEMBL30183642 0.87 NPY4R (0.58) NPY4RNPY1RNPY2R
SCHEMBL31619564 0.86 NPY4R (0.57) NPY4RNPY1RNPY2R
SCHEMBL29590508 0.86 NPY4R (0.54) NPY4RNPY1RNPY2R
SCHEMBL31208561 0.86 NPY4R (0.67) NPY4RNPY1RNPY2R
SCHEMBL30445416 0.86 FNTA (0.50) NPY4RNPY1RNPY2RFNTAFNTB
SCHEMBL31591522 0.85 FNTA (0.53) FNTAFNTB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP claimed